Mol:BMMCPYURS608
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 38 0 0 1 0 0 0 0 0999 V2000
5.9543 2.9612 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
6.2633 3.9123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4543 4.5001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.6453 3.9123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6942 4.2213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.9511 3.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5421 2.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2143 4.2213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4543 5.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9543 2.9612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4863 5.1995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7890 -2.5001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9230 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9230 -4.0001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.7890 -4.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6550 -4.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6550 -3.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0569 -2.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7890 -5.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.7890 -1.5001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.5980 -0.9123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.2890 0.0388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.2890 0.0388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.7012 0.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5980 -0.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.8768 0.8478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9800 -0.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7067 0.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1189 1.5523 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
8.3099 0.9645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9279 2.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5311 2.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5366 2.2568 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.6411 1.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4321 3.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24 28 1 6 0 0 0
24 23 1 0 0 0 0
21 28 1 6 0 0 0
23 22 1 0 0 0 0
21 22 1 0 0 0 0
21 13 1 0 0 0 0
22 26 1 1 0 0 0
23 27 1 1 0 0 0
15 16 1 0 0 0 0
15 14 1 0 0 0 0
14 13 1 0 0 0 0
13 18 1 0 0 0 0
18 17 2 0 0 0 0
17 16 1 0 0 0 0
16 20 2 0 0 0 0
14 19 2 0 0 0 0
24 25 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
30 33 1 0 0 0 0
34 33 1 0 0 0 0
30 31 1 0 0 0 0
30 32 2 0 0 0 0
34 7 1 0 0 0 0
34 35 1 0 0 0 0
34 36 2 0 0 0 0
2 1 1 0 0 0 0
1 10 1 0 0 0 0
4 10 1 6 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
1 7 1 4 0 0 0
3 9 1 6 0 0 0
4 5 1 0 0 0 0
2 8 1 1 0 0 0
5 6 1 0 0 0 0
6 12 1 0 0 0 0
5 11 1 6 0 0 0
S SKP 7
ID BMMCPYURS608
NAME UDP-D-galacto-1,4-furanose
FORMULA C15H24N2O17P2
EXACTMASS 566.055
AVERAGEMASS 566.3018
SMILES OC[C@H](O)[C@@H](O1)[C@H](O)[C@@H](O)C1OP(O)(=O)OP(O)(=O)OC[C@@H](O2)[C@@H](O)[C@@H](O)[C@@H]2N(C=3)C(=O)NC(=O)C3
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03733
M END
